Geometry & MOs

Info

ID:

114437

PubChem CID:

50482844

Reduced:

FN5O5C33H38 (1)

Stoich.:

AB5C5D33E38 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-189.44

Dipole, Da:

10.2

IP(EA), eV:

 -8.89(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)OC)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations